N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-3939 |
| Compound Name: | N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 420.38 |
| Molecular Formula: | C21 H16 N4 O6 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(c1ccn(COc2ccccc2[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8954 |
| logD: | 2.8941 |
| logSw: | -3.6901 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.268 |
| InChI Key: | HGDNZWLWPWRSQP-UHFFFAOYSA-N |